Primidone

CAT: 0127-BUP16549-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16549-02Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

125-33-7

Synonyms

Primaclone, Mysoline, NCI-C56360

Purity

=98%

Smiles

CCC1(C(=O)NCNC1=O)C1=CC=CC=C1

Chemical Information

Primidone

Primidone can cause cancer according to The National Toxicology Program.

CAS Number	125-33-7
PubChem CID	4909
IUPAC Name	5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
Molecular Formula	C12H14N2O2
Molecular Weight	218.25
XLogP	0.9
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	279

SMILES

CCC1(C(=O)NCNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)

InChIKey

DQMZLTXERSFNPB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 125-33-7

CID: 4909

Formula: C12H14N2O2

MW: 218.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.25
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	218.105527694
Monoisotopic Mass	218.105527694
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-P183200-01	Primidone